1-(3-aminocyclohexanecarbonyl)-2,3-dihydroindole-3-carboxylic acid

C16H20N2O3 — CID 80564569

IUPAC1-(3-aminocyclohexanecarbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESNC1CCCC(C(=O)N2CC(C(=O)O)c3ccccc32)C1
InChIInChI=1S/C16H20N2O3/c17-11-5-3-4-10(8-11)15(19)18-9-13(16(20)21)12-6-1-2-7-14(12)18/h1-2,6-7,10-11,13H,3-5,8-9,17H2,(H,20,21)
InChIKeyQGSDPMKKVDYLQL-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.72
Rot. Bonds2

About 1-(3-aminocyclohexanecarbonyl)-2,3-dihydroindole-3-carboxylic acid

1-(3-aminocyclohexanecarbonyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80564569) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(3-aminocyclohexanecarbonyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminocyclohexanecarbonyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID80564569
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(3-aminocyclohexanecarbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESNC1CCCC(C(=O)N2CC(C(=O)O)c3ccccc32)C1
InChIInChI=1S/C16H20N2O3/c17-11-5-3-4-10(8-11)15(19)18-9-13(16(20)21)12-6-1-2-7-14(12)18/h1-2,6-7,10-11,13H,3-5,8-9,17H2,(H,20,21)
InChIKeyQGSDPMKKVDYLQL-UHFFFAOYSA-N
XLogP1.72
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(bicyclo[3.1.0]hexane-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564509
1-(piperidine-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565113
1-(piperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565075
(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]-2,3-dihydroindole-3-carboxylic acid
CID 124574096
(3-aminocyclohexyl)-(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)methanone
CID 119738099
1-(1-methyl-2-oxopiperidine-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691103
1-(2-cyclohexylcyclopropanecarbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691143
(3-aminocyclohexyl)-(2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119673091
1-(pyrrolidine-1-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565141
(3-aminocyclohexyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 119788766
1-[2-(3-methylcyclohexyl)acetyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691709
(3R)-1-[(3R)-2,3-dihydro-1-benzothiophene-3-carbonyl]-2,3-dihydroindole-3-carboxylic acid
CID 124609729

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclohexanecarbonyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(3-aminocyclohexanecarbonyl)-2,3-dihydroindole-3-carboxylic acid (CID 80564569) is 1-(3-aminocyclohexanecarbonyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(3-aminocyclohexanecarbonyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(3-aminocyclohexanecarbonyl)-2,3-dihydroindole-3-carboxylic acid is NC1CCCC(C(=O)N2CC(C(=O)O)c3ccccc32)C1.
What is the InChIKey of 1-(3-aminocyclohexanecarbonyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is QGSDPMKKVDYLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c17-11-5-3-4-10(8-11)15(19)18-9-13(16(20)21)12-6-1-2-7-14(12)18/h1-2,6-7,10-11,13H,3-5,8-9,17H2,(H,20,21).
What are the key properties of 1-(3-aminocyclohexanecarbonyl)-2,3-dihydroindole-3-carboxylic acid?
1-(3-aminocyclohexanecarbonyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclohexanecarbonyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80564569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).